1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one

C12H19N3OS — CID 116586576

IUPAC1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CSCCN2)n(C)n1
InChIInChI=1S/C12H19N3OS/c1-9-5-11(15(2)14-9)7-12(16)6-10-8-17-4-3-13-10/h5,10,13H,3-4,6-8H2,1-2H3
InChIKeyFSQCOSYVIPVYON-UHFFFAOYSA-N
MW253.37 g/mol
LogP0.94
Rot. Bonds4

About 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one

1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one (PubChem CID 116586576) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
PubChem CID116586576
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one
SMILESCc1cc(CC(=O)CC2CSCCN2)n(C)n1
InChIInChI=1S/C12H19N3OS/c1-9-5-11(15(2)14-9)7-12(16)6-10-8-17-4-3-13-10/h5,10,13H,3-4,6-8H2,1-2H3
InChIKeyFSQCOSYVIPVYON-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-thiomorpholin-3-ylacetamide
CID 115746711
1-(2,5-dimethylpyrazol-3-yl)-3-piperidin-3-ylpropan-2-one
CID 116564213
1-cyclohexyl-3-(2,5-dimethylpyrazol-3-yl)propan-2-one
CID 114979014
1-(2-chloro-4-methylphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 106871284
1-(2,5-dimethylpyrazol-3-yl)-3-morpholin-2-ylpropan-2-one
CID 116586283
1-(5-ethylthiophen-2-yl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586701
2-(2-ethyl-5-methylpyrazol-3-yl)-1-thiomorpholin-3-ylethanone
CID 116609657
N-(3-cyclohexyl-1-methylpyrazol-5-yl)-2-[(3S)-thiomorpholin-3-yl]acetamide
CID 129415293
1-(2-methyltriazol-4-yl)-2-thiomorpholin-3-ylethanone
CID 130603430
1-(3-chlorophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586557
1-(3-bromophenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586628
1-(5-chloro-2-methoxyphenyl)-3-thiomorpholin-3-ylpropan-2-one
CID 116586447

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one (CID 116586576) is 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one is Cc1cc(CC(=O)CC2CSCCN2)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one?
The InChIKey is FSQCOSYVIPVYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-9-5-11(15(2)14-9)7-12(16)6-10-8-17-4-3-13-10/h5,10,13H,3-4,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one?
1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one has a molecular weight of 253.37 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-3-thiomorpholin-3-ylpropan-2-one is sourced from PubChem (CID 116586576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).